CID 86617243

3-formyl-n,5-dimethylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC1=CC(=CC(=C1)C(=O)NC)C=O

InChI

InChI=1S/C10H11NO2/c1-7-3-8(6-12)5-9(4-7)10(13)11-2/h3-6H,1-2H3,(H,11,13)

InChIKey

VYZGNRDOHHTJOP-UHFFFAOYSA-N

Compound name

3-formyl-N,5-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 177.07898 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	178.086256	135.9
[M+Na]+	200.068198	144.2
[M-H]-	176.071704	140.2
[M+NH4]+	195.112803	156.2
[M+K]+	216.042138	142.4
[M+H-H2O]+	160.076240	130.1
[M+HCOO]-	222.077181	161.0
[M+CH3COO]-	236.092831	183.9
[M+Na-2H]-	198.053646	141.3
[M]+	177.07843142	137.0
[M]-	177.07952858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe